Information card for entry 7033970

Structure parameters

• Formula: C24 H18 Br4 Hg N4
• Calculated formula: C24 H18 Br4 Hg N4
• SMILES: [Hg]([n]1ccc(cc1)/C=N/c1ccc(cc1)Br)([n]1ccc(cc1)/C=N/c1ccc(cc1)Br)(Br)Br
• Title of publication: The role of weak hydrogen and halogen bonding interactions in the assembly of a series of Hg(ii) coordination polymers.
• Authors of publication: Azhdari Tehrani, Alireza; Morsali, Ali; Kubicki, Maciej
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 5703 - 5712
• a: 26.9001 ± 0.0007 Å
• b: 37.9178 ± 0.0009 Å
• c: 4.803 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4899 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No